Symmetric carbon tetramers forming spin qubits in hexagonal boron nitride (in EN)
Abstract
Point defect quantum bits in semiconductors have the potential to revolutionize sensing at atomic scales. Currently, vacancy-related defects are at the forefront of high spatial resolution and low-dimensional sensing. On the other hand, it is expected that impurity-related defect structures may give rise to new features that could further advance quantum sensing in low dimensions. Here, we study the symmetric carbon tetramer clusters in hexagonal boron nitride and propose them as spin qubits for sensing. We utilize periodic-DFT and quantum chemistry approaches to reliably and accurately predict the electronic, optical, and spin properties of the studied defect. We show that the nitrogen-centered symmetric carbon tetramer gives rise to spin state-dependent optical signals with strain-sensitive intersystem crossing rates. Furthermore, the weak hyperfine coupling of the defect to their spin environments results in a reduced electron spin resonance linewidth that can enhance sensitivity.
- Research Organization:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Center for Scalable Predictive Methods for Excitations and Correlated Phenomena (SPEC)
- Sponsoring Organization:
- USDOE
- Grant/Contract Number:
- AC05-76RL01830
- OSTI ID:
- 2581832
- Journal Information:
- npj Computational Materials, Journal Name: npj Computational Materials Journal Issue: 1 Vol. 9; ISSN 2057-3960
- Publisher:
- Nature Publishing GroupCopyright Statement
- Country of Publication:
- United States
- Language:
- EN
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